Geometry & MOs

Info

ID:	229338
PubChem CID:	87567435
Reduced:	ClO3N6C18H23 (1)
Stoich.:	AB3C6D18E23 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	2.93
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-formyl-N-(1-hydroxy-3-phenylpropan-2-yl)carbamate

Drug info:

PubChemData

Smile

CNC(=O)[C@@]12C[C@@H]1[C@@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)Cl)NC5CCCC5

DOS

IR

Vibrations